2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde

C5H5NO3 — CID 71343861

IUPAC2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde
SMILESO=CN1C(=O)C=CC1O
InChIInChI=1S/C5H5NO3/c7-3-6-4(8)1-2-5(6)9/h1-4,8H
InChIKeySEZWSESFAIHWTE-UHFFFAOYSA-N
MW127.10 g/mol
LogP-1.14
Rot. Bonds1

About 2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde

2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde (PubChem CID 71343861) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde
PubChem CID71343861
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde
SMILESO=CN1C(=O)C=CC1O
InChIInChI=1S/C5H5NO3/c7-3-6-4(8)1-2-5(6)9/h1-4,8H
InChIKeySEZWSESFAIHWTE-UHFFFAOYSA-N
XLogP-1.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde?
The IUPAC name of 2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde (CID 71343861) is 2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde is O=CN1C(=O)C=CC1O.
What is the InChIKey of 2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde?
The InChIKey is SEZWSESFAIHWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c7-3-6-4(8)1-2-5(6)9/h1-4,8H.
What are the key properties of 2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde?
2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde has a molecular weight of 127.10 g/mol, XLogP of -1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-oxo-2H-pyrrole-1-carbaldehyde is sourced from PubChem (CID 71343861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).